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Geometry for CH3Li (methyl lithium) 1A1 C3V

1910171554
InChI=1S/CH3.Li/h1H3; INChIKey=DVSDBMFJEQPWNO-UHFFFAOYSA-N

MP3=FULL/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Li1 0.0000 0.0000 -1.5748   -1.5748 0.0000 0.0000
C2 0.0000 0.0000 0.3792   0.3792 0.0000 0.0000
H3 0.0000 1.0198 0.8165   0.8165 1.0198 0.0000
H4 -0.8832 -0.5099 0.8165   0.8165 -0.5099 -0.8832
H5 0.8832 -0.5099 0.8165   0.8165 -0.5099 0.8832
Atom - Atom Distances (Å)
  Li1 C2 H3 H4 H5
Li1 1.9540 2.5997 2.5997 2.5997
C2 1.9540 1.1096 1.1096 1.1096
H3 2.5997 1.1096 1.7664 1.7664
H4 2.5997 1.1096 1.7664 1.7664
H5 2.5997 1.1096 1.7664 1.7664
Maximum atom distance is 2.5997Å between atoms Li1 and H4.
picture of methyl lithium
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Li1 C2 H3 113.211 Li1 C2 H4 113.211
Li1 C2 H5 113.211 H3 C2 H4 105.486
H3 C2 H5 105.486 H4 C2 H5 105.486

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.